SCHEMBL9970857

SCHEMBL9970857

Cn1ncc(-c2cc(S)ncn2)c1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3582094 0.78 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9970894 0.71 ALDH1A1 (0.33) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL16780344 0.70 ALDH1A1 (0.36) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9970895 0.67 LMNA (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL8228313 0.66 DYRK1A (0.54) ALDH1A1MAPT
SCHEMBL8227604 0.65 DYRK1A (0.41) ALDH1A1POLBSMN1; SMN2GLAGAA
SCHEMBL12311290 0.65 CYP17A1 (0.36)
SCHEMBL29674849 0.64
SCHEMBL8234099 0.63 DYRK1A (0.35) ALDH1A1POLBSMN1; SMN2GLAGAA
SCHEMBL970593 0.62 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2GLAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK PI4KA 589/4885PI4K2B 366/4885PI4K2A 487/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.